3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one

C11H15N3O2 — CID 156761634

IUPAC3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one
SMILESO=C1NCCCC1c1onc2c1CNCC2
InChIInChI=1S/C11H15N3O2/c15-11-7(2-1-4-13-11)10-8-6-12-5-3-9(8)14-16-10/h7,12H,1-6H2,(H,13,15)
InChIKeyTVWYHKFEYYUDLK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.31
Rot. Bonds1

About 3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one

3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one (PubChem CID 156761634) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one
PubChem CID156761634
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one
SMILESO=C1NCCCC1c1onc2c1CNCC2
InChIInChI=1S/C11H15N3O2/c15-11-7(2-1-4-13-11)10-8-6-12-5-3-9(8)14-16-10/h7,12H,1-6H2,(H,13,15)
InChIKeyTVWYHKFEYYUDLK-UHFFFAOYSA-N
XLogP0.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one?
The IUPAC name of 3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one (CID 156761634) is 3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one is O=C1NCCCC1c1onc2c1CNCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one?
The InChIKey is TVWYHKFEYYUDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11-7(2-1-4-13-11)10-8-6-12-5-3-9(8)14-16-10/h7,12H,1-6H2,(H,13,15).
What are the key properties of 3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one?
3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one is sourced from PubChem (CID 156761634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).